CID 18757664

Cyclopentane, bis(2-octyldodecyl)-

Structural Information

Molecular Formula
C45H90
SMILES
CCCCCCCCCCC(CCCCCCCC)CC1(CCCC1)CC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C45H90/c1-5-9-13-17-21-23-27-31-37-43(35-29-25-19-15-11-7-3)41-45(39-33-34-40-45)42-44(36-30-26-20-16-12-8-4)38-32-28-24-22-18-14-10-6-2/h43-44H,5-42H2,1-4H3
InChIKey
AXNXGUVZBKOXHT-UHFFFAOYSA-N
Compound name
1,1-bis(2-octyldodecyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

630.7042 Da
Monoisotopic Mass

23.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.71148 286.5
[M+Na]+ 653.69342 285.1
[M-H]- 629.69692 255.3
[M+NH4]+ 648.73802 276.1
[M+K]+ 669.66736 267.7
[M+H-H2O]+ 613.70146 276.0
[M+HCOO]- 675.70240 281.4
[M+CH3COO]- 689.71805 278.0
[M+Na-2H]- 651.67887 270.2
[M]+ 630.70365 278.1
[M]- 630.70475 278.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe